Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-11 03:53:04 UTC |
---|
Updated at | 2022-09-11 03:53:05 UTC |
---|
NP-MRD ID | NP0309345 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (3s)-3-(3,4-dibromo-5-hydroxyphenyl)-1-[(9z)-hexadec-9-enoyl]-3-hydroxypyrrolidin-2-one |
---|
Description | (3s)-3-(3,4-dibromo-5-hydroxyphenyl)-1-[(9z)-hexadec-9-enoyl]-3-hydroxypyrrolidin-2-one is found in Amathia convoluta. |
---|
Structure | CCCCCC\C=C/CCCCCCCC(=O)N1CC[C@@](O)(C1=O)C1=CC(O)=C(Br)C(Br)=C1 InChI=1S/C26H37Br2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(31)29-17-16-26(33,25(29)32)20-18-21(27)24(28)22(30)19-20/h7-8,18-19,30,33H,2-6,9-17H2,1H3/b8-7-/t26-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C26H37Br2NO4 |
---|
Average Mass | 587.3930 Da |
---|
Monoisotopic Mass | 585.10894 Da |
---|
IUPAC Name | (3S)-3-(3,4-dibromo-5-hydroxyphenyl)-1-[(9Z)-hexadec-9-enoyl]-3-hydroxypyrrolidin-2-one |
---|
Traditional Name | (3S)-3-(3,4-dibromo-5-hydroxyphenyl)-1-[(9Z)-hexadec-9-enoyl]-3-hydroxypyrrolidin-2-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCCCC\C=C/CCCCCCCC(=O)N1CC[C@@](O)(C1=O)C1=CC(O)=C(Br)C(Br)=C1 |
---|
InChI Identifier | InChI=1S/C26H37Br2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(31)29-17-16-26(33,25(29)32)20-18-21(27)24(28)22(30)19-20/h7-8,18-19,30,33H,2-6,9-17H2,1H3/b8-7-/t26-/m0/s1 |
---|
InChI Key | CPBMZZIDDXHIAX-PAUWSZDUSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Classification | Not classified |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|